N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine

C21H43N5 — CID 138564613

IUPACN'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine
SMILESCCNCC/C=C\CNC/C=C\CNC/C=C\CNCCCCCNC
InChIInChI=1S/C21H43N5/c1-3-23-15-7-5-9-17-25-19-11-13-21-26-20-12-10-18-24-16-8-4-6-14-22-2/h5,9-13,22-26H,3-4,6-8,14-21H2,1-2H3/b9-5-,12-10-,13-11-
InChIKeyDWUFURMDHVEVRU-LRAGIACVSA-N
MW365.61 g/mol
LogP1.81
Rot. Bonds20

About N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine

N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine (PubChem CID 138564613) has the molecular formula C21H43N5 and a molecular weight of 365.61 g/mol. Its IUPAC name is N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine
PubChem CID138564613
Molecular FormulaC21H43N5
Molecular Weight365.61 g/mol
Exact Mass365.35
IUPAC NameN'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine
SMILESCCNCC/C=C\CNC/C=C\CNC/C=C\CNCCCCCNC
InChIInChI=1S/C21H43N5/c1-3-23-15-7-5-9-17-25-19-11-13-21-26-20-12-10-18-24-16-8-4-6-14-22-2/h5,9-13,22-26H,3-4,6-8,14-21H2,1-2H3/b9-5-,12-10-,13-11-
InChIKeyDWUFURMDHVEVRU-LRAGIACVSA-N
XLogP1.81
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 51.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N'-[4-[4-[4-[[(E)-4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butylamino]butyl]butane-1,4-diamine
CID 6476700
N-ethyl-N'-[4-[[(Z)-4-[4-(ethylamino)butylamino]but-2-enyl]amino]butyl]butane-1,4-diamine;pentahydrochloride
CID 52944190
N-ethyl-N'-hex-3-enylpentane-1,5-diamine
CID 123144490
N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine
CID 19698839
N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine
CID 165044270
N,N'-diethylpentane-1,5-diamine
CID 15013244
(E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride
CID 19956382
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
(Z)-N-ethylundec-9-en-1-amine
CID 144898184
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
ethane;N'-ethyl-N-methylpropane-1,3-diamine;9-(propan-2-ylamino)nonanal
CID 168958962

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine?
The IUPAC name of N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine (CID 138564613) is N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine.
What is the SMILES notation for N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine?
The canonical SMILES for N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine is CCNCC/C=C\CNC/C=C\CNC/C=C\CNCCCCCNC.
What is the InChIKey of N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine?
The InChIKey is DWUFURMDHVEVRU-LRAGIACVSA-N. The full InChI is InChI=1S/C21H43N5/c1-3-23-15-7-5-9-17-25-19-11-13-21-26-20-12-10-18-24-16-8-4-6-14-22-2/h5,9-13,22-26H,3-4,6-8,14-21H2,1-2H3/b9-5-,12-10-,13-11-.
What are the key properties of N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine?
N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine has a molecular weight of 365.61 g/mol, XLogP of 1.81, 20 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine is sourced from PubChem (CID 138564613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).